CID 14601092

Pantera

Structural Information

Molecular Formula
C22H21ClN2O5
SMILES
C[C@H](C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl
InChI
InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3/t14-,18?/m1/s1
InChIKey
BBKDWPHJZANJGB-IKJXHCRLSA-N
Compound name
oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6854
Patents

428.1139 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.12118 198.1
[M+Na]+ 451.10312 212.3
[M+NH4]+ 446.14772 204.6
[M+K]+ 467.07706 207.2
[M-H]- 427.10662 203.5
[M+Na-2H]- 449.08857 204.5
[M]+ 428.11335 201.9
[M]- 428.11445 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe